SCHEMBL28854659

SCHEMBL28854659

CCN(CC(C)O)C(=O)Nc1ncc(Oc2ccc(C#N)cc2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ IL18 Q14116 1/20 0.36
▸ MMP2 P08253 2/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ ATG4B Q9Y4P1 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24953926 1.00 TRPM8 (0.38) TRPM8SCN9AKDM4EMEN1LMNA
SCHEMBL24953654 1.00 TRPM8 (0.38) TRPM8SCN9AKDM4EMEN1LMNA
SCHEMBL24952936 0.90 GCK (0.34) RAB9AALDH1A1
SCHEMBL24953564 0.90 JAK2 (0.39) RAB9AJAK2JAK1JAK3
SCHEMBL24954128 0.89 CYP3A4 (0.34) —
SCHEMBL24952899 0.89 GCK (0.35) MEN1KMT2AALDH1A1
SCHEMBL24953922 0.88 SCN9A (0.41) SCN9AKDM4EMEN1LMNAPOLB
SCHEMBL24953942 0.88 KDR (0.36) —
SCHEMBL24952962 0.87 GCK (0.44) TRPM8ALDH1A1HPGD
SCHEMBL24953737 0.87 GCK (0.44) TRPM8ALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114845709-A MRGPRX2 antagonists for use in treating inflammatory disorders 德米拉公司 2022-08-02 — — CN disclosed
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